4-[[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine

C19H23FN2O4S — CID 155801194

IUPAC4-[[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC(COc2ccncc2C)CC1
InChIInChI=1S/C19H23FN2O4S/c1-14-12-21-8-5-17(14)26-13-15-6-9-22(10-7-15)27(23,24)19-11-16(20)3-4-18(19)25-2/h3-5,8,11-12,15H,6-7,9-10,13H2,1-2H3
InChIKeyZLLORRGIQFVKPM-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.02
Rot. Bonds6

About 4-[[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine

4-[[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine (PubChem CID 155801194) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-[[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine.

Molecular Properties

Compound Name4-[[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine
PubChem CID155801194
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name4-[[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC(COc2ccncc2C)CC1
InChIInChI=1S/C19H23FN2O4S/c1-14-12-21-8-5-17(14)26-13-15-6-9-22(10-7-15)27(23,24)19-11-16(20)3-4-18(19)25-2/h3-5,8,11-12,15H,6-7,9-10,13H2,1-2H3
InChIKeyZLLORRGIQFVKPM-UHFFFAOYSA-N
XLogP3.02
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine
CID 155801200
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
CID 90493901
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991
3-chloro-4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methoxy]pyridine
CID 155801188
3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine
CID 155800170
2-cyclopropyl-1-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethanone
CID 155800227
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 17018156
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534067
N-[(2S)-butan-2-yl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 41447264
4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]pyridine
CID 99844527
cyclobutyl-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818774
1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978245

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine?
The IUPAC name of 4-[[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine (CID 155801194) is 4-[[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine.
What is the SMILES notation for 4-[[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine?
The canonical SMILES for 4-[[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine is COc1ccc(F)cc1S(=O)(=O)N1CCC(COc2ccncc2C)CC1.
What is the InChIKey of 4-[[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine?
The InChIKey is ZLLORRGIQFVKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-14-12-21-8-5-17(14)26-13-15-6-9-22(10-7-15)27(23,24)19-11-16(20)3-4-18(19)25-2/h3-5,8,11-12,15H,6-7,9-10,13H2,1-2H3.
What are the key properties of 4-[[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine?
4-[[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine has a molecular weight of 394.47 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine is sourced from PubChem (CID 155801194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).